SCHEMBL668123

SCHEMBL668123

CC(C)c1cc(NC(=O)Nc2sccc2-c2ccncc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
HTR2C P28335 1/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.37
MAPK13 O15264 1/20 0.36
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
POLB P06746 2/20 0.34
NAMPT P43490 1/20 0.34
NPC1 O15118 1/20 0.34
ESR1 P03372 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5575770 0.83 RAF1 (0.56) MAPK14ALDH1A1HTR2CRAF1BRAF
SCHEMBL668594 0.80 MAPK14 (0.51) MAPK14ALDH1A1HTR2CRAF1MAPK13
SCHEMBL5575736 0.80 RAF1 (0.45) MAPK14ALDH1A1HTR2CRAF1BRAF
SCHEMBL5575757 0.80 MAPK14 (0.48) MAPK14ALDH1A1LMNASMN1; SMN2HTR2C
SCHEMBL668091 0.76 FLT3 (0.56) MAPK14RAF1MAPK13NPC1RAB9A
SCHEMBL5575753 0.74 MAPK14 (0.49) MAPK14ALDH1A1LMNASMN1; SMN2RAF1
SCHEMBL6049545 0.73 GAPDH (0.45) ALDH1A1LMNASMN1; SMN2POLBNPC1
SCHEMBL6049531 0.72 CDC7 (0.33) MAPK14ALDH1A1LMNASMN1; SMN2ROCK2
SCHEMBL937763 0.71 RAF1 (0.70) MAPK14ALDH1A1LMNARAF1BRAF
SCHEMBL668121 0.70 MAPK14 (0.51) MAPK14ALDH1A1LMNASMN1; SMN2HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US claimed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US claimed
JP-4403482-B2 2010-01-27 JP claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885ALDH1A1 1451/4885LMNA 3582/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885ALDH1A1 1451/4885LMNA 3582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.